BDBM50204171 6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-isopropyl-2,3-dioxopiperazin-1-yl)nicotinonitrile::CHEMBL246688

SMILES: CC(C)N1CCN(C(=O)C1=O)c1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1

InChI Key: InChIKey=XFSVDKVGSJGSCU-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50204171   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50204171 (6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-isoprop...) Show SMILES CC(C)N1CCN(C(=O)C1=O)c1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H20Cl2N4O2/c1-15(2)30-11-12-31(25(33)24(30)32)23-17(14-28)13-20(16-7-9-18(26)10-8-16)22(29-23)19-5-3-4-6-21(19)27/h3-10,13,15H,11-12H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 2031-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.005 BindingDB Entry DOI: 10.7270/Q27944BJ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50204171 (6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-isoprop...) Show SMILES CC(C)N1CCN(C(=O)C1=O)c1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H20Cl2N4O2/c1-15(2)30-11-12-31(25(33)24(30)32)23-17(14-28)13-20(16-7-9-18(26)10-8-16)22(29-23)19-5-3-4-6-21(19)27/h3-10,13,15H,11-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	715	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at CB2 receptor				Bioorg Med Chem Lett 17: 2031-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.005 BindingDB Entry DOI: 10.7270/Q27944BJ
					More data for this Ligand-Target Pair